UCSF

ZINC70513150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.28 6.99 -95.43 4 3 2 41 288.52 13
Mid Mid (pH 6-8) 4.28 7.3 -31.36 3 3 1 40 287.512 13

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )